1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene

C21H26O2 — CID 70442414

IUPAC1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
SMILESCOc1ccccc1C(c1ccccc1OC)C1CCCCC1
InChIInChI=1S/C21H26O2/c1-22-19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)23-2/h6-9,12-16,21H,3-5,10-11H2,1-2H3
InChIKeyMPUVNOWPTJXHBK-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.42
Rot. Bonds5

About 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene

1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene (PubChem CID 70442414) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
PubChem CID70442414
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
SMILESCOc1ccccc1C(c1ccccc1OC)C1CCCCC1
InChIInChI=1S/C21H26O2/c1-22-19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)23-2/h6-9,12-16,21H,3-5,10-11H2,1-2H3
InChIKeyMPUVNOWPTJXHBK-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene
CID 171097752
N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81387812
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
CID 82087243
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
The IUPAC name of 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene (CID 70442414) is 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene.
What is the SMILES notation for 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
The canonical SMILES for 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene is COc1ccccc1C(c1ccccc1OC)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
The InChIKey is MPUVNOWPTJXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-22-19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)23-2/h6-9,12-16,21H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene has a molecular weight of 310.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene is sourced from PubChem (CID 70442414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).